CID 13217339

1h-pyrrolizine-7a(5h)-acetamide, tetrahydro-n-(2,6-diethylphenyl)-, monohydrochloride

Structural Information

Molecular Formula
C19H28N2O
SMILES
CCC1=C(C(=CC=C1)CC)NC(=O)CC23CCCN2CCC3
InChI
InChI=1S/C19H28N2O/c1-3-15-8-5-9-16(4-2)18(15)20-17(22)14-19-10-6-12-21(19)13-7-11-19/h5,8-9H,3-4,6-7,10-14H2,1-2H3,(H,20,22)
InChIKey
SGBXCMYLPMTGAA-UHFFFAOYSA-N
Compound name
N-(2,6-diethylphenyl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

300.22015 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.227426 175.8
[M+Na]+ 323.209368 180.3
[M-H]- 299.212874 181.2
[M+NH4]+ 318.253973 195.7
[M+K]+ 339.183308 175.9
[M+H-H2O]+ 283.217410 168.3
[M+HCOO]- 345.218351 194.7
[M+CH3COO]- 359.234001 206.3
[M+Na-2H]- 321.194816 174.9
[M]+ 300.21960142 173.5
[M]- 300.22069858 173.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.